2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-4-carboxamide

C15H18N4O — CID 82738139

IUPAC2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-4-carboxamide
SMILESCCc1cccnc1CNC(=O)c1ccnc(CN)c1
InChIInChI=1S/C15H18N4O/c1-2-11-4-3-6-18-14(11)10-19-15(20)12-5-7-17-13(8-12)9-16/h3-8H,2,9-10,16H2,1H3,(H,19,20)
InChIKeyWOWJOYUCHOTTKD-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.43
Rot. Bonds5

About 2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-4-carboxamide

2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-4-carboxamide (PubChem CID 82738139) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-4-carboxamide
PubChem CID82738139
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-4-carboxamide
SMILESCCc1cccnc1CNC(=O)c1ccnc(CN)c1
InChIInChI=1S/C15H18N4O/c1-2-11-4-3-6-18-14(11)10-19-15(20)12-5-7-17-13(8-12)9-16/h3-8H,2,9-10,16H2,1H3,(H,19,20)
InChIKeyWOWJOYUCHOTTKD-UHFFFAOYSA-N
XLogP1.43
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 82734231
N-[(3-ethyl-2-pyridinyl)methyl]-4-(methylamino)benzamide
CID 82743343
N-[(3-ethyl-2-pyridinyl)methyl]-5-hydroxypyridine-3-carboxamide
CID 82739232
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 104742770
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxybenzamide
CID 82733532
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluoro-4-methylbenzamide
CID 82733555
N-[(3-ethyl-2-pyridinyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 82744064
2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]furan-3-carboxamide
CID 106854223
N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114326296
2-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 112522093
2-(aminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 113277766
2-(aminomethyl)-N-(2-ethyl-2-hydroxybutyl)pyridine-4-carboxamide
CID 114326677

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-4-carboxamide (CID 82738139) is 2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-4-carboxamide is CCc1cccnc1CNC(=O)c1ccnc(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-4-carboxamide?
The InChIKey is WOWJOYUCHOTTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-2-11-4-3-6-18-14(11)10-19-15(20)12-5-7-17-13(8-12)9-16/h3-8H,2,9-10,16H2,1H3,(H,19,20).
What are the key properties of 2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-4-carboxamide?
2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-4-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 82738139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).